UCSF

ZINC12227039

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 24 Yes

Popular Name: 6-ethyl-1,3-dimethyl-5-(3-pyridylmethylamino)pyrido[3,2-e]pyrimidine-2,4-dione 6-ethyl-1,3-dimethyl-5-(3-pyridy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.71 -0.67 -47.34 2 7 1 83 326.38 4 ↓
Lo Low (pH 4.5-6) 0.71 -0.55 -87.32 3 7 2 84 327.388 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.